For many years it was believed that translational symmetry would be the fundamental property of crystal structures of natural and synthetic compounds. It is now recognised that many compounds crystallise without translational symmetry of their atomic structures. "Incommensurate Crystallography" gives a comprehensive account of the superspace theory for the description of crystal structures and symmetries of these incommensurately modulated crystals and incommensurate composite crystals. It thus provides the necessary background for quantitative analysis of incommensurate crystals by methods in Solid State Chemistry and Solid State Physics. The second half of "Incommensurate Crystallography" is devoted to crystallographic methods of structural analysis of incommensurate compounds. Thorough accounts are given of the diffraction by incommensurate crystals, the choice of parameters in structure refinements, and the use of superspace in analysing crystal structures. The presentation of methods of structure determination includes modern methods like the Maximum Entropy Method and Charge Flipping.

This is the first book covering the theory, practicalities, and the extensive applications of neutron powder diffraction in materials science, physics, chemistry, mineralogy and engineering. Various highlight applications of neutron powder diffraction are outlined in the introduction, then the theory is developed and instrumentation described sufficient for a return to the applications. The book covers the use of neutron powder diffraction in the solution (hard) and refinement (more straightforward) of crystal and magnetic structures, applications of powder diffraction in quantitative phase analysis, extraction of microstructural information from powder diffraction patterns, and the applications of neutron diffraction in studies of elastic properties and for the measurement of residual stress. Additional theory to underpin these various applications is developed as required. Much of the material should be accessible to senior undergraduates in science and engineering, as well as to graduate students and more senior researchers with an interest in the technique.

Neutron Protein Crystallography is one of the first books dedicated to the emerging field of neutron protein crystallography (NPC). The text covers all of the practical aspects of NPC, from the basic background of neutron scattering and diffraction, to the technical details of neutron facilities, growth of high-quality crystals, and data analysis. The final chapter is devoted to providing many examples of using NPC to investigate a wide range of different proteins. It demonstrates how NPC can explore hydrogen bonds, protonation and deprotonation of amino acid residues, hydration structures, and hydrogen-to-deuterium exchange ratios.
To avoid redundancy with other textbooks on X-ray protein crystallography (XPC), this book assumes a familiarity with the basics of XPC and strives to highlight and explain the differences between XPC and NPC. It is therefore especially useful for X-ray protein crystallographers who are eager to have a sound, scientific basis for judging if NPC is the right technique for furthering their experimental programs.

The terms 'liquid crystal' or 'liquid crystal display' (LCD) are well-known in the context of flat-screen televisions, but the properties and history of liquid crystals are little understood. This book tells the story of liquid crystals, from their controversial discovery at the end of the nineteenth century, to their eventual acceptance as another state of matter to rank alongside gases, liquids and solids. As their story unfolds, the scientists involved and their works are put into illuminating broader socio-political contexts. In recent years, liquid crystals have had a major impact on the display industry, culminating in the now widely available flat-screen televisions; this development is described in detail over three chapters, and the basic science behind it is explained in simple terms accessible to a general reader. New applications of liquid crystals in materials, bio-systems, medicine and technology are also explained.
The authors' approach to the subject defines a new genre of popular science books. The historical background to the scientific discoveries is given in detail, and the personal communications between the scientists involved are explored. The book tells the story of liquid crystals, but it also shows that scientific discovery and exploitation relies on human interactions, and the social and political environments in which they work.

This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.

Cloud physics is concerned with those processes which are responsible for the formation of clouds and the release of precipitation. This classic book gives a comprehensive and detailed account of experimental and theoretical research on the microphysical processes of nucleation, condensation, droplet growth, initiation and growth of snow crystals, and the mechanisms of precipitation release. As a textbook it is designed to give the student the necessary background to carry out independent work. As a reference book for the research worker, it provides an integrated account of the major developments in this field. Although written primarily for the atmospheric physicist, it contains much of interest for those in the fields of nucleation phenomena, crystal growth, and aerosol physics.

This book gives the complete theory of the irreducible representations of the crystallographic point groups and space groups. This is important in the quantum-mechanical study of a particle or quasi-particle in a molecule or crystalline solid because the eigenvalues and eigenfunctions of a system belong to the irreducible representations of the group of symmetry operations of that system. The theory is applied to give complete tables of these representations for all the 32 point groups and 230 space groups, including the double-valued representations. For the space groups, the group of the symmetry operations of the k vector and its irreducible representations are given for all the special points of symmetry, lines of symmetry and planes of symmetry in the Brillouin zone. Applications occur in the electronic band structure, phonon dispersion relations and selection rules for particle-quasiparticle interactions in solids. The theory is extended to the corepresentations of the Shubnikov (black and white) point groups and space groups.

This text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern structural chemistry, and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemistry, and final-year undergraduates.
Much of the material of the first edition has been significantly updated and expanded, and some new topics have been added. The approach to several of the topics has changed, reflecting the book's new authorship, and recent developments in the subject.

The first systematic experiments in neutron scattering were carried out in the late 1940s using fission reactors built for the nuclear power programme. Crystallographers were amongst the first to exploit the new technique, but they were soon followed by condensed matter physicists and chemists. Engineers and biologists are the most recent recruits to the club of neutron users. The aim of the book is to provide a broad survey of the experimental activities of all these users. There are many specialist monographs describing particular examples of the application of neutron scattering: fourteen of such monographs have been published already in the Oxford University Press series edited by S. Lovesey and E. Mitchell. However this book will appeal to newcomers to the field of neutron scattering, who may be intimidated by the bewildering array of instruments at central facilities (such as the Institut Laue Langevin in France, the ISIS Laboratory in the UK, or the PSI Laboratory in Switzerland), and who may be uncertain as to which instrument to use.

This book is the first book dealing with structural crystallography of inorganic oxysalts in general. A special emphasis is placed upon structural topology and methods of its description. The latter include graph theory, nets, 2-D and 3-D tilings, polyhedra, etc. The structures considered range from minerals to organically templated oxysalts, for all of which this book provides a unified approach to structure interpretation and classification. Most of the structures have been analysed from the proposed viewpoint for the first time and it has been shown that they possess the same topological genealogy and relationships, sometimes despite their obvious chemical differences. In order to expand the range of oxysalts considered, the book offers not only traditional schemes but also alternative approaches such as anion topologis, anion-centered polyhedra and cation arrays. As such, this book can be considered as a comprehensive introduction into the amazingly complex and diverse world of inorganic oxysalts.

This book introduces in a thorough and self-contained way the production of electromagnetic radiation by high energy electron storage rings. This radiation, which is called synchroton radiation, has become a research tool of wide application. Physicists, chemists, biologists, geologists, engineers, material scientists, and other scientific disciplines use it as a structural probe for the study of surfaces, bulk material, crystals, and viruses. Solids, liquids and gases can be spectroscopically analysed by using synchroton radiation. This book brings together for the first time the properties as well as the means of production of synchroton radiation and presents them in a coherent and clear way. It will be an indispensable reference for all those involved in modern synchroton radiation experiments.

Small-angle scattering of X-rays (SAXS) and neutrons (SANS) is an established method for the structural characterization of biological objects in a broad size range from individual macromolecules (proteins, nucleic acids, lipids) to large macromolecular complexes. SAXS/SANS is complementary to the high resolution methods of X-ray crystallography and nuclear magnetic resonance, allowing for hybrid modeling and also accounting for available biophysical and biochemical data. Quantitative characterization of flexible macromolecular systems and mixtures has recently become possible. SAXS/SANS measurements can be easily performed in different conditions by adding ligands or binding partners, and by changing physical and/or chemical characteristics of the solvent to provide information on the structural responses. The technique provides kinetic information about processes like folding and assembly and also allows one to analyze macromolecular interactions. The major factors promoting the increasingly active use of SAXS/SANS are modern high brilliance X-ray and neutron sources, novel data analysis methods, and automation of the experiment, data processing and interpretation. In this book, following the presentation of the basics of scattering from isotropic macromolecular solutions, modern instrumentation, experimental practice and advanced analysis techniques are explained. Advantages of X-rays (rapid data collection, small sample volumes) and of neutrons (contrast variation by hydrogen/deuterium exchange) are specifically highlighted. Examples of applications of the technique to different macromolecular systems are considered with specific emphasis on the synergistic use of SAXS/SANS with other structural, biophysical and computational techniques.

This book is a revised and updated English edition of a textbook that has grown out of several years of teaching. The term "inorganic" is used in a broad sense as the book covers the structural chemistry of representative elements (including carbon) in the periodic table, organometallics, coordination polymers, host-guest systems and supramolecular assemblies. Part I of the book reviews the basic bonding theories, including a chapter on computational chemistry. Part II introduces point groups and space groups and their chemical applications. Part III comprises a succinct account of the structural chemistry of the elements in the periodic table. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.

A revised and updated English version of a postgraduate textbook that has grown out of several years of classroom development. The term "inorganic" is used in a broad sense as the book covers the structural chemistry of representative elements (including carbon) in the Periodic Table, organometallics, coordination polymers, host-guest systems and supramolecular assemblies.
Part I of the book reviews the basic bonding theories, including a chapter on computational chemistry. Part II introduces point groups and space groups and their chemical applications. Part III comprises a succinct account of the structural chemistry of the elements in the periodic table. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.

Macromolecular Crystallography is the study of macromolecules (proteins and nucleic acids) using X-ray crystallographic techniques in order to determine their molecular structure. The knowledge of accurate molecular structures is a pre-requisite for rational drug design, and for structure-based function studies to aid the development of effective therapeutic agents and drugs. The successful determination of the complete genome (genetic sequence) of several species (including humans) has recently directed scientific attention towards identifying the structure and function of the complete complement of proteins that make up that species; a new and rapidly growing field of study called 'structural genomics'. There are now several important and well-funded global initiatives in operation to identify all of the proteins of key model species. One of the main requirements for these initiatives is a high-throughput crystallization facility to speed-up the protein identification process. The extent to which these technologies have advanced, calls for an updated review of current crystallographic theory and practice. This practical reference book features the latest conventional and high-throughput methods, and includes contributions from a team of internationally recognized leaders and experts. It will be of relevance and use to graduate students, research scientists and professionals currently working in the field of conventional and high-throughput macromolecular crystallography.

This concise book for chemists, material scientists, and physicists who deal with description of crystalline matter and the determination of its structure, and would like to gain more understanding of the principles involved. The main purpose of the book is to introduce the reader to principles of crystallographic symmetry, to discuss some traditional, as well as modern, experimental techniques, to formulate the phase problem of crystallographic symmetry, to discus some traditional, as well as modern, experimental techniques, to formulate the phase problem of crystallography, and present in some detail the methods for its indirect and direct solution which are indispensable for further work. The book also contains discussions of structure-factor statistics, or value for resolving space-group ambiguities, and atomic displacement parameters, which form an inseparable part of the structure. A discussion of the refinement of structural parameters, conventional, constrained and restrained, concludes the book. Derivations are as far as possible, self contained and wherever mathematical detail might disrupt the line of reasoning the reader is referred to on of four appendices present in the book. The book is of course valuable for students of crystallography at a graduate and upper undergraduate level. No previous course on crystallography is a prerequisite for graduates in the above fields.

The study of interfaces within and between materials is a central field which is relevant to almost all aspects of materials science. For example, interfaces play a role in many of the mechanical and electrical properties of materials, phase transformations, and microstructure of materials.This book is intended to serve as a graduate text consisting of four inter-related parts spanning the structure, thermodynamics, kinetics, and properties of interfaces in crystalline materials. Throughout the book emphasis is placed on the conceptual foundations of the subject through the exposition of simple models and descriptions of key experimental observations. In this way the reader is gradually taken to the forefront of the subject. The first four chapters deal with structural aspects of interfaces - interfacial geometry, dislocation models, interatomic forces, and atomic structure. There are three chapters dealing with thermodynamic aspects of interfaces; the thermodynamics of interfaces; interfacial phases and phase transitions, and segregation of solute atoms. The kinetics of interfaces are covered in three chapters concerned with diffusion, conservative motion, and non-conservative motion. Finally there are two chapters which cover the electrical and mechanical properties of interfaces. This book is a unique introduction to the field of interfaces in crystalline materials spanning the subject in a coherent and pedagogical style.

Bridging the gap between theory and practice, this text provides the reader with a comprehensive overview of industrial crystallization. Newcomers will learn all of the most important topics in industrial crystallization, from key concepts and basic theory to industrial practices. Topics covered include the characterization of a crystalline product and the basic process design for crystallization, as well as batch crystallization, measurement techniques, and details on precipitation, melt crystallization and polymorphism. Each chapter begins with an introduction explaining the importance of the topic, and is supported by homework problems and worked examples. Real world case studies are also provided, as well as new industry-relevant information, making this is an ideal resource for industry practitioners, students, and researchers in the fields of industrial crystallization, separation processes, particle synthesis, and particle technology.

Architects of Structural Biology is an amalgam of memoirs, biography, and intellectual history of the personalities and single-minded devotion of four scientists who are among the greatest in modern times. These three chemists and one physicist, all Nobel laureates, played a pivotal role in the creation of a new and pervasive branch of biology. This led in turn to major developments in medicine and to the treatment of diseases as a result of advances made in arguably one of the greatest centres of scientific research ever: the Laboratory of Molecular Biology in Cambridge, which they helped to establish. Their work and that of their predecessors at the Royal Institution in London reflects the broader cultural, scientific and educational strength of the UK from the early 19th century onwards. The book also illustrates the nurturing of academic life in the collegiate system, exemplified by the activities of, and cross-fertilization within, a small Cambridge college.

This book provides a comprehensive and unified account of the structure and properties of crystalline binary adducts. Perhaps better known as molecular complexes and compounds, these crystals are currently estimated (from molecular recognition studies) to make up one quarter of the world's crystals, providing evidence for some sort of special attraction between the two components. DNA is perhaps the most famous example but others (hydrates, solvates, host-guest inclusion complexes, donor-acceptor compounds) pervade the whole body of solid state chemistry. Although much research has been published, there has never been a comprehensive and unified treatment of the whole field. This book has been designed to fill this gap, comparing and contrasting the various examples and the different types of interaction (hydrogen bonding, inclusion and localized or delocalized charge transfer). More than 600 figures, 200 tables and 3500 references are included in the book. Since most 'parent compounds' form a number of adducts, the fraction of crystalline binary adducts is only going to grow making this account just the 'tip of the iceberg.'

This book describes how the arrangement and movement of atoms in a solid are related to the forces between atoms, and how they affect the behaviour and properties of materials. The book is intended for final year undergraduate students and graduate students in physics and materials science.

Science does not offer a quiet life. Imagination, creativity, ambition, and conflict are as vital and abundant in science as in artistic endeavours. In this delightful collection of essays, Nobel Laureate Max Perutz writes about the pursuit of scientific knowledge, which he sees as an enterprise providing not just a few facts but cause for reflection and revelation. This book contains detective stories, tales of conflict and battle, a woman's love affair with crystals, a man's gruesome fascination with poison gas, perils both phantom and real, and entertaining glimpses of Perutz's own long and exceptional life. Perutz views science as a passionate enterprise and the pursuit of knowledge as a sortie into the unknown: these essays explore a remarkable range of topics, both scientific and personal, with the lucidity and precision that he brought to his own pioneering work in protein crystallography.

The present book is an accessible, comprehensive guide to diffuse neutron scattering, an important technique for studying structural disorder in materials. The text takes the reader through theoretical, computational and experimental developments in the subject and describes in detail its application to a number of structural disorder problems. These include the more traditional subjects of substitutional disorder in alloys and orientational disorder in molecular systems as well as the more recent studies of superionic and framework materials. Particular emphasis is placed on recent refinement methods for data interpretation which are compared with established computer simulation techniques and analytical approaches. The book collects disparate themes into one unique volume, written as an introduction to the method for graduate scientists. It will be a valuable reference text for any crystallographer keen to understand and apply modern interpretative techniques to diffuse scattering data.

Direct methods are, at present, applied to a large variety of cases: X-ray, neutron or electron data; single crystal and powder data; small molecules and macromolecules. While direct methods solved in practice the phase problem for small molecules, their application to macromolecules is recent and still undergoing strong development. The fundamentals of the methods are described: in particular it is shown how the methods can be optimized for powder, neutron or electron data, and how they can be integrated with isomorphous replacement, molecular replacement and anomalous dispersion techniques. Maximum Entropy methods are also described and discussed. Sets of test structures are used to verify, throughout the various chapters, the mathematical techniques there described and to provide practical examples of applications. This book will appeal to a wide variety of readers - offering both a comprehensive description of direct methods in crystallography and an invaluable reference tool. The first three chapters can be considered as an introduction to the field, with sufficient material to constitute a university course and for allowing the expert use of most direct methods programs. Subsequent chapters are aimed at graduate students and working crystallographers. Basic results are described and discussed in the main body of the text, while the appendices compliment these with in depth mathematical details. The quoted literature is extremely wide and the interested reader can find suggestions for future work and further reading throughout the book.

Paul Ewald's 1916-1917 masterpiece "On the Foundations of Crystal Optics" described the self-consistent interaction of electromagnetic waves with crystals on a molecular level. While astonishing in its detailed predictions for X-ray diffraction, full appreciation of the theory and its utility had to await much later advances in measurement techniques and crystal growth. Today, concepts introduced in the theory--now known as the Ewald sphere, Ewald summation, and Ewald-Oseen extinction--have become mainstays in diverse areas of modern physics. This memorial volume, with contributions by leading figures in the field, is an affectionate survey of Ewald's life, scientific work, and leading role in the international crystallographic community. Historians of science, and particularly of solid state physics and crystallography, will find this volume a compelling and fascinating tribute to this important scientist.